Ligand
Ligand Name:   Ajoene
Ligand Type:   non-polymer
Ligand ID:   COVPDB494 PubChem:   76962524
Synonym(s):  
  •   unii-99a0041vg8 component ixelfrranaowsf-vudgcmkmsa-n
  • unii-w36uk64jya component ixelfrranaowsf-vudgcmkmsa-n
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C=CCSS/C=C/C[S@](=O)CC=C
Standard InChI:   InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+/t13-/m1/s1
Molecular Formula:   C9H14OS3 Mol. Weight:   234.02068 logP:   3.0022
HBD:   0 HBA:   3
#Rotatable Bonds:   8 TPSA:   17.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Glutathione reductase, mitochondrial P00390 (GSHR_HUMAN) Homo sapiens (Human) 1BWC AJ3
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